Product Name

  • Name

    3-METHOXY-4-NITROACETOPHENONE

  • EINECS
  • CAS No. 22106-39-4
  • Article Data9
  • CAS DataBase
  • Density 1.245 g/cm3
  • Solubility
  • Melting Point 71-73 °C
  • Formula C9H9NO4
  • Boiling Point 321.642 °C at 760 mmHg
  • Molecular Weight 195.175
  • Flash Point 152.709 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 22106-39-4 (3-METHOXY-4-NITROACETOPHENONE)
  • Hazard Symbols IrritantXi
  • Synonyms Ethanone, 1-(3-methoxy-4-nitrophenyl)-;3-Methoxy-4-nitroacetophenone;
  • PSA 72.12000
  • LogP 2.32920

Ethanone,1-(3-methoxy-4-nitrophenyl)- Specification

The Ethanone,1-(3-methoxy-4-nitrophenyl)-, with the CAS registry number of 22106-39-4, is also known as Ethanone, 1-(3-methoxy-4-nitrophenyl)-. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). This chemical's molecular formula is C9H9NO4 and molecular weight is 195.17. What's more, its systematic name is 1-(3-Methoxy-4-nitrophenyl)ethanone.

Physical properties about the Ethanone,1-(3-methoxy-4-nitrophenyl)- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 72.12 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 49.505 cm3; (9)Molar Volume: 156.808 cm3; (10)Surface Tension: 44.327 dyne/cm; (11)Density: 1.245 g/cm3; (12)Flash Point: 152.709 °C; (13)Enthalpy of Vaporization: 56.342 kJ/mol; (14)Boiling Point: 321.642 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1OC)C(=O)C
(2) InChI: InChI=1/C9H9NO4/c1-6(11)7-3-4-8(10(12)13)9(5-7)14-2/h3-5H,1-2H3
(3) InChIKey: QGZZCBCLSMAVSE-UHFFFAOYAC

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